7-acetyl-3-(3,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-3-(3,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-3-(3,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K305-0522 |
| Compound Name: | 7-acetyl-3-(3,4-dimethoxyphenyl)-1-[(pyridin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(Cc4cccnc4)c3sc2C1)=O)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.886 |
| logD: | 1.8851 |
| logSw: | -2.0633 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.935 |
| InChI Key: | WTSBBTMOXPTSED-UHFFFAOYSA-N |